diethyl [(diethoxyphosphanyl)oxy]phosphonite

• ChemBase ID: 146759
• Molecular Formular: C8H20O5P2
• Molecular Mass: 258.188922
• Monoisotopic Mass: 258.078597
• SMILES: CCOP(OCC)OP(OCC)OCC
• Canonical SMILES: CCOP(OP(OCC)OCC)OCC
• InChI: InChI=1S/C8H20O5P2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5-8H2,1-4H3
• InChIKey: RDXABLXNTVBVML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl [(diethoxyphosphanyl)oxy]phosphonite
• IUPAC Traditional name: diethyl (diethoxyphosphanyl)oxyphosphonite
• Synonyms: Tetraethyl pyrophosphite; 四乙基焦亚磷酸盐

Database IDs

• CAS Number: 21646-99-1
• EC Number: 244-494-8
• MDL Number: MFCD00009082
• PubChem SID: 162240951; 24849530
• PubChem CID: 88987

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0695984
• LogD (pH = 7.4): 3.0695999
• Log P: 3.0696
• Molar Refractivity: 62.2042 cm^3
• Polarizability: 24.514862 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79-81 °C/1 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.057 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.434(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 96%
• Linear Formula: (C2H5O)2POP(OC2H5)2

DETAILS

Sigma Aldrich - 155411

Application
Reagent for peptide synthesis.
Packaging
5 g in glass bottle